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Showing 1–16 of 16 results
Advanced filters: Author: John D Chodera Clear advanced filters

  • A vast landscape of ‘undruggable’ cancer targets remains beyond the reach of conventional therapeutic agents. Recent advances in artificial intelligence (AI), however, are challenging this paradigm. Synthesizing insights from a Cancer Moonshot workshop, we argue that systemically addressing the undruggable target space with AI requires a new conceptual framework. We highlight the failure of current target taxonomies and the need for benchmarking datasets, and re-evaluate clinical validation for novel AI-driven modalities.

    • Karen Akinsanya
    • Mohammed AlQuraishi
    • Olivier Elemento
    Comments & Opinion
    Nature Biotechnology
    Volume: 43, P: 1416-1418

  • Somatic mutations in MEN1 are identified in patients with leukaemia treated with a novel chromatin-targeting therapy, and the mechanism by which these mutations mediate therapeutic resistance is characterized.

    • Florian Perner
    • Eytan M. Stein
    • Sheng F. Cai
    Research
    Nature
    Volume: 615, P: 913-919

  • A survey of SARS-CoV-2 RBD antibodies identifies those with activity against diverse SARS-CoV-2 variants and SARS-related coronaviruses, highlighting epitopes and features to prioritize in antibody and vaccine development.

    • Tyler N. Starr
    • Nadine Czudnochowski
    • Gyorgy Snell
    Research
    Nature
    Volume: 597, P: 97-102

  • Simulations of the SARS-CoV-2 proteome that include over 0.1 s of aggregate data are reported. Spike opening was observed, revealing cryptic epitopes that differ between variants, explaining differential interactions with antibodies and receptors that determine pathogenicity. The cryptic pockets described provide new targets for antivirals and a wealth of mechanistic insight.

    • Maxwell I. Zimmerman
    • Justin R. Porter
    • Gregory R. Bowman
    Research
    Nature Chemistry
    Volume: 13, P: 651-659

  • A genome-wide CRISPR screen revealed that loss of general control nonderepressible 2 (GCN2) kinase increases cellular resistance to the pan-ErbB inhibitor neratinib with neratinib directly binding and activating GCN2 kinase activity.

    • Colin P. Tang
    • Owen Clark
    • Ingo K. Mellinghoff
    Research
    Nature Chemical Biology
    Volume: 18, P: 207-215

  • The RNA binding protein MUSASHI-2 (MSI2) is a potential therapeutic target for acute myeloid leukemia. Here the authors identify a small molecule inhibitor of MSI2 and characterize its effects in a murine leukemia model.

    • Gerard Minuesa
    • Steven K. Albanese
    • Michael G. Kharas
    ResearchOpen Access
    Nature Communications
    Volume: 10, P: 1-15

  • In early 2020, a spontaneous global collaboration came together to design a new, urgent antiviral treatment. There are lessons in what happened next.

    • Frank von Delft
    • Mark Calmiano
    • Annette von Delft
    Comments & Opinion
    Nature
    Volume: 594, P: 330-332

  • Spectroscopic studies of allosteric activation of Aurora A kinase using a site-specific infrared probe combined with FRET analysis and molecular dynamics simulations reveals a water-mediated hydrogen bond network in the active site that regulates Aurora A activity.

    • Soreen Cyphers
    • Emily F Ruff
    • Nicholas M Levinson
    Research
    Nature Chemical Biology
    Volume: 13, P: 402-408

  • Molecular simulations reveal the self-assembly of small molecules into nanoparticle drug carriers. Targeting of colon and liver cancer cells by the nanoparticles via kinase inhibitors is employed in anti-tumour therapy in vivo.

    • Yosi Shamay
    • Janki Shah
    • Daniel A. Heller
    Research
    Nature Materials
    Volume: 17, P: 361-368

  • Large-scale assays using cDNA display proteolysis are used to measure the folding stabilities of protein domains, providing a method to quantify the effects of mutations on protein folding, with applications in protein design.

    • Kotaro Tsuboyama
    • Justas Dauparas
    • Gabriel J. Rocklin
    ResearchOpen Access
    Nature
    Volume: 620, P: 434-444

  • A new mechanism of acquired clinical resistance in two patients with acute myeloid leukaemia driven by mutant IDH2 is described, in which a second-site mutation on the wild-type allele induces therapeutic resistance to IDH2 inhibitors.

    • Andrew M. Intlekofer
    • Alan H. Shih
    • Eytan M. Stein
    Research
    Nature
    Volume: 559, P: 125-129

  • Critical Assessment of Computational Hit-finding Experiments (CACHE) is a public benchmarking project to compare and improve computational small-molecule hit-finding approaches through cycles of prediction, compound synthesis and experimental testing. By that, CACHE will enable a more efficient and effective approach to hit identification and drug discovery.

    • Suzanne Ackloo
    • Rima Al-awar
    • Timothy M. Willson
    Reviews
    Nature Reviews Chemistry
    Volume: 6, P: 287-295

  • Kevin Hauser et al. accurately predict the impact of mutations in a kinase on the binding affinities of targeted kinase inhibitors using alchemical free-energy calculations. With 88% accuracy, resistance or sensitivity to therapy is computed for 144 clinically-identified point mutations in this major target in chronic myelogenous leukemia.

    • Kevin Hauser
    • Christopher Negron
    • Lingle Wang
    ResearchOpen Access
    Communications Biology
    Volume: 1, P: 1-14